Cas no 110704-50-2 (2-Chloromethyl-5-trifluoromethyl-benzothiazole)
2-Chloromethyl-5-trifluoromethyl-benzothiazole is a versatile heterocyclic compound featuring a benzothiazole core substituted with a chloromethyl group at the 2-position and a trifluoromethyl group at the 5-position. This structure imparts unique reactivity, making it a valuable intermediate in organic synthesis, particularly for the development of pharmaceuticals, agrochemicals, and specialty materials. The chloromethyl group facilitates further functionalization through nucleophilic substitution, while the electron-withdrawing trifluoromethyl group enhances stability and influences electronic properties. Its well-defined reactivity profile and compatibility with diverse synthetic routes make it a preferred choice for researchers seeking to construct complex molecular architectures. The compound is typically handled under controlled conditions due to its reactive nature.
110704-50-2 structure
Product Name:2-Chloromethyl-5-trifluoromethyl-benzothiazole
CAS No:110704-50-2
MF:C9H5ClF3NS
MW:251.655910253525
MDL:MFCD11040746
CID:1093101
PubChem ID:14204205
Update Time:2025-05-27
2-Chloromethyl-5-trifluoromethyl-benzothiazole Chemical and Physical Properties
Names and Identifiers
-
- 2-(Chloromethyl)-5-(trifluoromethyl)benzo[d]thiazole
- Benzothiazole, 2-(chloroMethyl)-5-(trifluoroMethyl)-
- 2-(Chloromethyl)-5-(trifluoromethyl)-1,3-benzothiazole
- 2-(chloromethyl)-5-(trifluoromethyl)benzothiazole
- 2-chloromethyl-5-trifluoromethylbenzothiazole
- 2-CHLOROMETHYL-5-TRIFLUOROMETHYL-BENZOTHIAZOLE
- 5-trifluoromethyl-2-chloromethylbenzothiazole
- AG-C-82316
- AGN-PC-000P5C
- AK147802
- CTK6H7221
- KB-113715
- SBB100998
- SureCN359623
- 5-(Trifluoromethyl)-2-(chloromethyl)benzothiazole
- 2-(chloroMethyl)-5-(trifluoroMethyl)-Benzothiazole
- VMVSSVCXGNALAH-UHFFFAOYSA-N
- Benzothiazole, 2-(chloromethy
- 2-CHLOROMETHYL-5-TRIFLUOROMETHYL-BEN
- MFCD11040746
- AKOS009292199
- EN300-53730
- 110704-50-2
- SCHEMBL359623
- D93085
- AS-68331
- 2-Chloromethyl-5-trifluoromethyl-benzothiazole
-
- MDL： MFCD11040746
- Inchi： 1S/C9H5ClF3NS/c10-4-8-14-6-3-5(9(11,12)13)1-2-7(6)15-8/h1-3H,4H2
- InChI Key： VMVSSVCXGNALAH-UHFFFAOYSA-N
- SMILES： ClCC1=NC2C=C(C(F)(F)F)C=CC=2S1
Computed Properties
- Exact Mass: 250.9783325g/mol
- Monoisotopic Mass: 250.9783325g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 15
- Rotatable Bond Count: 1
- Complexity: 236
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 41.1
- XLogP3: 3.7
Experimental Properties
- Density: 1.502±0.06 g/cm3 (20 oC 760 Torr),
- Melting Point: 52 oC
- Boiling Point: 283.2±40.0 oC (760 Torr),
- Flash Point: 125.1±27.3 oC,
- Solubility: Almost insoluble (0.028 g/l) (25 o C),
2-Chloromethyl-5-trifluoromethyl-benzothiazole Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Alichem | A059003518-1g |
2-(Chloromethyl)-5-(trifluoromethyl)benzo[d]thiazole |
110704-50-2 | 95% | 1g |
$430.44 | 2023-09-04 | |
| Chemenu | CM157389-1g |
2-Chloromethyl-5-trifluoromethyl-benzothiazole |
110704-50-2 | 95% | 1g |
$489 | 2021-06-08 | |
| TRC | C597420-2.5mg |
2-Chloromethyl-5-trifluoromethyl-benzothiazole |
110704-50-2 | 2.5mg |
$ 50.00 | 2022-06-06 | ||
| TRC | C597420-5mg |
2-Chloromethyl-5-trifluoromethyl-benzothiazole |
110704-50-2 | 5mg |
$ 65.00 | 2022-06-06 | ||
| TRC | C597420-25mg |
2-Chloromethyl-5-trifluoromethyl-benzothiazole |
110704-50-2 | 25mg |
$ 160.00 | 2022-06-06 | ||
| SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd. | C907118-1g |
2-(Chloromethyl)-5-(trifluoromethyl)benzo[d]thiazole |
110704-50-2 | 95% | 1g |
1,820.70 | 2021-05-17 | |
| Apollo Scientific | PC446043-100mg |
2-Chloromethyl-5-trifluoromethyl-benzothiazole |
110704-50-2 | 90% | 100mg |
￡120.00 | 2023-09-02 | |
| Apollo Scientific | PC446043-250mg |
2-Chloromethyl-5-trifluoromethyl-benzothiazole |
110704-50-2 | 90% | 250mg |
￡182.00 | 2023-09-02 | |
| Ambeed | A105497-100mg |
2-(Chloromethyl)-5-(trifluoromethyl)benzo[d]thiazole |
110704-50-2 | 97% | 100mg |
$99.0 | 2024-04-26 | |
| Ambeed | A105497-250mg |
2-(Chloromethyl)-5-(trifluoromethyl)benzo[d]thiazole |
110704-50-2 | 97% | 250mg |
$171.0 | 2024-04-26 |
2-Chloromethyl-5-trifluoromethyl-benzothiazole Related Literature
-
Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
-
Martin R. Ward,Gary W. Copeland,Andrew J. Alexander Chem. Commun., 2010,46, 7634-7636
-
Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
-
Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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